SCHEMBL2181933

SCHEMBL2181933

COc1ccc(CCNc2cc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)ccc2[N+](=O)[O-])cc1OC

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.86
ALDH1A1 P00352 9/20 0.86
LMNA P02545 5/20 0.86
SMN1; SMN2 Q16637 4/20 0.86
NPC1 O15118 3/20 0.86
MAPK1 P28482 2/20 0.86
RAB9A P51151 2/20 0.86
HTT P42858 3/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
DCTPP1 Q9H773 3/20 0.61
HTR6 P50406 4/20 0.53
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1845525 0.87 ALDH1A1 (0.78) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL2482134 0.84 MAPT (0.72) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL1841331 0.83 DCTPP1 (0.76) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL1844422 0.82 ALDH1A1 (0.80) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL2484028 0.81 MAPT (0.70) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL2482705 0.81 HTR6 (0.70) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL2387903 0.81 MAPT (0.73) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL1845563 0.80 MAPT (0.68) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL1844975 0.80 DCTPP1 (0.78) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL2762508 0.80 DCTPP1 (0.72) MAPTALDH1A1LMNASMN1; SMN2NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949980-B2 Drugs to prevent HPV infection WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2018-04-24 US disclosed
US-20150297602-A1 DRUGS TO PREVENT HPV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 US disclosed
US-9066951-B2 Drugs to treat HPV infection WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-06-30 US disclosed
US-20110165220-A1 DRUGS TO PREVENT HPV INFECTION WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-07-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110165220-A1 DRUGS TO PREVENT HPV INFECTION VHL, PHF13, CDKN1A MAPT 4500/4885ALDH1A1 458/4885LMNA 1743/4885
US-20150297602-A1 DRUGS TO PREVENT HPV INFECTION VHL, PHF13, CDKN1A MAPT 4500/4885ALDH1A1 458/4885LMNA 1743/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.